rel-(9R,12E,14S,15R,16R,17S,18S,19S,20R,21R,22E)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]tr ienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
Chemical Structure Depiction of
rel-(9R,12E,14S,15R,16R,17S,18S,19S,20R,21R,22E)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]tr ienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
rel-(9R,12E,14S,15R,16R,17S,18S,19S,20R,21R,22E)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]tr ienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
Compound characteristics
| Compound ID: | H031-0013 |
| Compound Name: | rel-(9R,12E,14S,15R,16R,17S,18S,19S,20R,21R,22E)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]tr ienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate |
| Molecular Weight: | 847.02 |
| Molecular Formula: | C46 H62 N4 O11 |
| Smiles: | CC(C)CN1CCC2(CC1)NC1=C3C(c4c(C1=N2)c1C([C@@](C)(O/C=C/[C@H]([C@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(/C)C(N3)=O)O)O)OC(C)=O)OC)Oc1c(C)c4O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.228 |
| logD: | 5.228 |
| logSw: | -4.8786 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 161.016 |
| InChI Key: | ATEBXHFBFRCZMA-OZFKZPMASA-N |